N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C15H27NO — CID 113352244

IUPACN-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCC2=CCCC2)C1(C)C
InChIInChI=1S/C15H27NO/c1-4-17-14-11-13(15(14,2)3)16-10-9-12-7-5-6-8-12/h7,13-14,16H,4-6,8-11H2,1-3H3
InChIKeyGCVMXKKKGNPTPJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 113352244) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID113352244
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCC2=CCCC2)C1(C)C
InChIInChI=1S/C15H27NO/c1-4-17-14-11-13(15(14,2)3)16-10-9-12-7-5-6-8-12/h7,13-14,16H,4-6,8-11H2,1-3H3
InChIKeyGCVMXKKKGNPTPJ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475
methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317182
N-(3-propan-2-yloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223206
1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine
CID 45094171
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850380
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850524
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851356
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852160
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64863841
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865405
N-[2-(cyclohexen-1-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872247
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167891

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 113352244) is N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCCC2=CCCC2)C1(C)C.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is GCVMXKKKGNPTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-17-14-11-13(15(14,2)3)16-10-9-12-7-5-6-8-12/h7,13-14,16H,4-6,8-11H2,1-3H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 113352244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).